1VB0

Atomic resolution structure of atratoxin-b, one short-chain neurotoxin from Naja atra

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	0.916
Spacegroup name	P 41 21 2
Unit cell lengths	48.463, 48.463, 44.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 0.920
Rwork	0.114
R-free	0.13280
Structure solution method	AB INITIO
Starting model (for MR)	1onj
RMSD bond length	0.015
RMSD bond angle	0.040
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	0.940
High resolution limit [Å]	0.920	0.920
Rmerge	0.075	0.210
Number of reflections	36907
Completeness [%]	99.4	92
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Tris_HCl, ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K